3601-1023 Screening compound: 4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate

3601-1023 Screening compound: 4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate
3601-1023 Screening compound: 4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-1023
4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3601-1023

Molecular Formula

C18H16BrN5O4 (C18 H16 BrN5 O4)

Compound Name

4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate

IUPAC name

4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C(/c1nn(CCO)c(N)c1C#N)\C#N)c1)c1Br)=O

InChI

InChI=1S/C18H16BrN5O4/c1-10(26)28-17-14(19)6-11(7-15(17)27-2)5-12(8-20)16-13(9-21)18(22)24(23-16)3-4-25/h5-7,25H,3-4,22H2,1-2H3

InChI Key

PCYRDODCLMYRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

1.140

Water Solubility, LogSw

-1.74

Polar Surface Area

113.266

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3601-1023 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3601-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-1023?
Check Price and Availability of 3601-1023, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3601-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-1023
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3601-1023 available by request